Ipratropium bromide monohydrateProduct ingredient for Ipratropium
- Name
- Ipratropium bromide monohydrate
- Drug Entry
- Ipratropium
Ipratropium is a quaternary ammonium derivative of atropine4 that acts as an anticholinergic agent.1 It is commonly administered through inhalation which allows producing a local effect without presenting a significant systemic absorption.4
Ipratropium as a therapeutic agent was developed by Boehringer Ingelheim and its first monotherapy product was FDA approved in 1986, while the combination product of ipratropium and albuterol was approved in 1996.12,11
- Accession Number
- DBSALT000208
- Structure
Structure for Ipratropium bromide monohydrate (DBSALT000208)
- Synonyms
- Ipratropium bromide / Ipratropium bromide hydrate
- UNII
- J697UZ2A9J
- CAS Number
- 66985-17-9
- Weight
- Average: 430.383
Monoisotopic: 429.151472 - Chemical Formula
- C20H32BrNO4
- InChI Key
- KEWHKYJURDBRMN-XSAPEOHZSA-M
- InChI
- InChI=1S/C20H30NO3.BrH.H2O/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H;1H2/q+1;;/p-1/t16-,17+,18+,19?,21?;;
- IUPAC Name
- (1R,3R,5S)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-8-ium hydrate bromide
- SMILES
- O.[Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N+]2(C)C(C)C
- External Links
- PubChem Compound
- 43232
- ChemSpider
- 20016099
- ChEBI
- 5957
- ChEMBL
- CHEMBL2134724
- Wikipedia
- Ipratropium_bromide
- Predicted Properties
Property Value Source Water Solubility 0.000595 mg/mL ALOGPS logP 0.97 ALOGPS logP -1.8 Chemaxon logS -5.8 ALOGPS pKa (Strongest Acidic) 15.15 Chemaxon pKa (Strongest Basic) -2.7 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 46.53 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 105.9 m3·mol-1 Chemaxon Polarizability 37.57 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon